SCHEMBL12499594

SCHEMBL12499594

O=C(O)C1[C@H](c2ccccc2)[C@H]1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
ALDH1A1 P00352 1/20 0.62
HDAC4 P56524 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
GAA P10253 2/20 0.58
EDNRA P25101 1/20 0.58
GRM1 Q13255 2/20 0.57
GRM2 Q14416 1/20 0.57
GRM4 Q14833 1/20 0.57
FABP7 O15540 6/20 0.56
FABP5 Q01469 5/20 0.56
FABP3 P05413 3/20 0.55
P4HB P07237 1/20 0.55
HTT P42858 1/20 0.55
PPARG P37231 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12694388 1.00 POLB (0.64) POLBALDH1A1HDAC4HDAC3HDAC7
SCHEMBL30788903 1.00 POLB (0.64) POLBALDH1A1HDAC4HDAC3HDAC7
SCHEMBL12499597 1.00 POLB (0.64) POLBALDH1A1HDAC4HDAC3HDAC7
SCHEMBL21120223 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL20614651 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL15590565 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL3482659 0.95 HDAC4 (0.61) POLBALDH1A1HDAC4HDAC3HDAC7
SCHEMBL20598122 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL3482620 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL18674152 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 POLB 252/4885ALDH1A1 559/4885HDAC4 10/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.